SCHEMBL8985279

SCHEMBL8985279

CCOC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
PRKCZ Q05513 1/20 0.49
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
AR P10275 3/20 0.44
OPRD1 P41143 1/20 0.43
CACNA1C Q13936 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP10 Q14694 1/20 0.40
MAPK1 P28482 2/20 0.39
PTPN11 Q06124 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8985275 0.85 MAPK14 (0.53) MAPK14PRKCZRAB9AGAAMAPT
SCHEMBL8985268 0.84 MAPK14 (0.57) MAPK14PRKCZRAB9AGAAMAPT
SCHEMBL8985432 0.84 MAPK14 (0.46) MAPK14RAB9AOPRD1KDM4ETDP1
SCHEMBL8985312 0.84 MAPK14 (0.48) MAPK14RAB9AMAPTOPRD1ALDH1A1
SCHEMBL8985313 0.81 MAPK14 (0.58) MAPK14PRKCZRAB9AMAPTOPRD1
SCHEMBL8985524 0.81 MAPK14 (0.51) MAPK14PRKCZGAAMAPTOPRD1
SCHEMBL8985532 0.80 MAPK14 (0.53) MAPK14PRKCZRAB9AMAPTOPRD1
SCHEMBL8985530 0.79 MAPK14 (0.52) MAPK14PRKCZRAB9AGAAMAPT
SCHEMBL8985412 0.77 MAPK14 (0.59) MAPK14PRKCZRAB9AGAAMAPT
SCHEMBL8985460 0.76 PTGS2 (0.46) RAB9AMAPTMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed